Spektraris NMR
Stemphypyrone
Common Name: Stemphypyrone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3/b7-5+
InChIKey: InChIKey=FXQRSXWMFRVMOS-FNORWQNLSA-N
Formula: C12H16O4
Molecular Weight: 224.253503
Exact Mass: 224.104859
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Debbab, A., Aly, A.H., Edrada-Ebel, R., Wray, V., Muller, W.E., Totzke, F., Zirrgiebel, U., Schachtele, C., Kubbutat, M.H., Lin, W.H., Mosaddak, M., Hakiki, A., Proksch, P., Ebel, R. J Nat Prod (2009) 72, 626-31
Species:
Notes: Family : Pyranes, Type : Pyrones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 167.4 |
| 3 (C) | 102.7 |
| 4 (C) | 168.7 |
| 5 (CH) | 94.9 |
| 6 (C) | 161.2 |
| 3a (CH3) | 8.5 |
| 4a (CH3) | 57.2 |
| 6a (C) | 127.7 |
| 6b (CH) | 138.7 |
| 6c (CH) | 65.2 |
| 6d (CH3) | 23.1 |
| 6aa (CH3) | 12.5 |
